SCHEMBL12146331

SCHEMBL12146331

CC1=[N+](CCCCS(=O)(=O)O)c2ccc(C)cc2C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTPN1 P18031 1/20 0.39
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADRB1 P08588 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
CNR1 P21554 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12791985 0.91 MEN1 (0.60) MEN1LMNAMAPTTHRBHTT
SCHEMBL2361662 0.87 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL14457767 0.87 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL29726657 0.87 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL10138057 0.87 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL3859355 0.87 MEN1 (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL559842 0.86 LMNA (0.40) MEN1LMNAMAPTTHRBHTT
SCHEMBL1405740 0.85 MAPT (0.38) MEN1LMNAMAPTTHRBHTT
SCHEMBL29773164 0.85 MAPT (0.38) MEN1LMNAMAPTTHRBHTT
SCHEMBL5268110 0.85 MEN1 (0.39) MEN1LMNAMAPTTHRBHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916137-B2 Monofunctional carbocyanine dyes for in vivo and in vitro imaging THE GENERAL HOSPITAL CORPORATION (US) 2014-12-23 US disclosed
US-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2011-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING MKI67, HCCS, PYCR1 MEN1 448/4885LMNA 2640/4885MAPT 4135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.